4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole

C9H10BrClN4 — CID 107085845

IUPAC4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-n2cc(Cl)cn2)c1CBr
InChIInChI=1S/C9H10BrClN4/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,3H2,1-2H3
InChIKeyRTDZGRAZXQXMMI-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.46
Rot. Bonds2

About 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole

4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole (PubChem CID 107085845) has the molecular formula C9H10BrClN4 and a molecular weight of 289.56 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
PubChem CID107085845
Molecular FormulaC9H10BrClN4
Molecular Weight289.56 g/mol
Exact Mass287.98
IUPAC Name4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-n2cc(Cl)cn2)c1CBr
InChIInChI=1S/C9H10BrClN4/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,3H2,1-2H3
InChIKeyRTDZGRAZXQXMMI-UHFFFAOYSA-N
XLogP2.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole (CID 107085845) is 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole is Cc1nn(C)c(-n2cc(Cl)cn2)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole?
The InChIKey is RTDZGRAZXQXMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN4/c1-6-8(3-10)9(14(2)13-6)15-5-7(11)4-12-15/h4-5H,3H2,1-2H3.
What are the key properties of 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole?
4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole has a molecular weight of 289.56 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 107085845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).